CHEMBL419403


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)CCC(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey OIAISWGRXLQNOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 528.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 4.39 4.39 4.39 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.11 7.11 7.11 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database